In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049FME
Common NameTG(P-16:0/10:0/18:2(9E,12E))
Systematic Name1-(1Z-hexadecenyl)-2-decanoyl-3-(9E,12E-octadecadienoyl)-sn-glycerol
SynonymsTG(P-44:2); TG(P-16:0_10:0_18:2)
Exact Mass
730.6475 (neutral)    Calculate m/z:
FormulaC47H86O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyUYNFYZAFVSVHPF-GIUJSJCTSA-N
InChIInChI=1S/C47H86O5/c1-4-7-10-13-16-18-20-22-24-25-27-29-32-34-37-40-46(48)51-44-4
5(52-47(49)41-38-35-31-15-12-9-6-3)43-50-42-39-36-33-30-28-26-23-21-19-17-14-11-
8-5-2/h16,18,22,24,39,42,45H,4-15,17,19-21,23,25-38,40-41,43-44H2,1-3H3/b18-16+,
24-22+,42-39-/t45-/m1/s1
SMILESC(OC(=O)CCCCCCC/C=C/C/C=C/CCCCC)[C@]([H])(OC(CCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)